MMsINC Database Search


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MMsINC code: MMs01505563

Type: Neutral
Formula: C₁₆H₁₅F₂NO₃S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C16H15F2NO3S/c1-11-2-4-12(5-3-11)10-19-15(20)13-6-8-14(9-7-13)23(21,22)16(17)18/h2-9,16H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2487 kcal/mol

Physical Properties
Molecular Weight: 339.362 g/mol	logS: -3.99739	SlogP: 3.60762	Reactive groups: 0

Topological Properties
Globularity: 0.0544548	Sterimol/B1: 2.26838	Sterimol/B2: 3.45582	Sterimol/B3: 3.87471
Sterimol/B4: 6.57741	Sterimol/L: 17.363

Surface and Volume Properties
Accessible surface: 568.061	Positive charged surface: 272.122	Negative charged surface: 295.939	Volume: 290.375
Hydrophobic surface: 387.22	Hydrophilic surface: 180.841

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.